Orals presentations Monday 14 October Table of content Orals presentations .................................................................................................. 3 Monday 14 October................................................................................................. 3 Tuesday 15 October.............................................................................................. 18 Wednesday 16 October ........................................................................................ 33 Thursday 17 October ............................................................................................ 41 Friday 18 October ................................................................................................. 57 Poster presentations .............................................................................................. 63 Poster session #1 ................................................................................................. 63 Poster session #2 ............................................................................................... 135 Authors’ index ...................................................................................................... 207 2221 Orals presentations Monday 14 October Tuesday 15 October Wednesday 16 October Thursday 17 October Friday 17 October Monday 14 October 3221 Orals presentations Monday 14 October INV1-0258 ● Applications of the PASS Stopping Code P. Sigmund 1, A. Schinner 2 1university of Southern DK - Odense (DK), 2Johannes Kepler University - Linz (AT) The PASS code represents an implementation of Binary Stopping Theory for Swift Heavy Ions [1]. Numerous comparisons between predicted and measured stopping cross sections have been reported, starting with ref. [2] and most recently in [3]. These comparisons also include light ions at fairly low velocities. A first compilation of predicted stopping cross section [4] included ions from Li to Ar and selected atomic and molecular target materials. A comprehensive tabulation of stopping cross sections for 92 ions in 92 monoatomic materials is now freely available on the internet [5]. In addition to stopping cross sections or stopping forces, PASS has been applied in calculations of primary electron spectra [6,7] and channeling [8]. A major effort has been invested in calculating straggling [9], including bunching and packing as well as charge-exchange straggling [10]. PASS has also been useful in the development of tools to evaluate the validity of experimental stopping data, especially at low beam energies[11,12,13,14]. The relation to CasP and SRIM will be discussed. References [1] P. Sigmund and A. Schinner, Europ. Phys. J. D 12 (2000) 425. [2] P. Sigmund and A. Schinner, Nucl. Instrum. Methods B 195 (2002) 64. [3] A. Schinner and P. Sigmund, Expanded pass stopping code (2019), https://doi.org/10.1016/j.nimb.2018.10.047. [4] ICRU, Stopping of ions heavier than helium, vol. 73 of ICRU Report (Oxford University Press, Oxford, 2005). [5] A. Schinner and P. Sigmund, DPASS, www.sdu.dk/DPASS. [6] M. S. Weng, A. Schinner, A. Sharma and P. Sigmund, Europ. Phys. J. D 39 (2006) 209. [7] P. Sigmund and A. Schinner, Nucl. Instrum. Methods B 258 (2007) 116. [8] P. Sigmund and A. Schinner, Europ. Phys. J. D 56 (2010) 51. [9] P. Sigmund and A. Schinner, Europ. Phys. J. D 58 (2010) 105. [10] P. Sigmund and A. Schinner, Nucl. Instrum. Methods B 384 (2016) 30. [11] P. Sigmund, Europ. Phys. J. D 47 (2008) 45. [12] P. Sigmund and A. Schinner, Nucl. Instrum. Methods B 410 (2017) 78. [13] A. Schinner and P. Sigmund, Nucl. Instrum. Methods B 440 (2019) 41. [14] P. Sigmund, V. Kuzmin and A. Schinner, Nucl. Instrum. Methods B (2019), https://doi.org/10.1016/j.nimb.2018.12.006. Orals presentations Monday 14 October ION1-O1-0060 ● Stopping power of ions in solids: current interest, data needs and new theoretical results C. Montanari 1, A. Mendez 1, D. Mitnik 1, J. Miraglia 1 Instituto de Astronomía y Física del Espacio, CONICET and Universidad de Buenos Aires (AR) The present state of the energy loss of ions in solids will be talked over, based on the management of the IAEA stopping database [1]: experimental trends of the last years, lack of values, uncertainties, interest and difficulties of rare earths and post-lanthanide targets. The theoretical challenge of describing the stopping power of the very heavy elements (those whose 4f shell of electrons plays a major role) will be introduced, and new theoretical results presented in an energy range that covers from very low to the tens of MeV. An example of these results is shown in Figure 1, where we display the electronic stopping cross section of Tantalum for protons. The experimental data is from [1], the curves correspond to our nonperturbative and perturbative calculations as explained in [2]. Also included is the SRIM curve [3]. A peculiar behavior of the 4f electrons at very low energies, already noted experimentally in [4] will also be discussed. Acknowledgement Present work is supported by the Agencia Nacional de Promoción Científica y Tecnológica, the CONICET and the University of Buenos Aires. References [1] https://www-nds.iaea.org/stopping/ [2] C. C. Montanari and J. E. Miraglia, Phys. Rev. A 96, 0127027 (2017). [3] J. F. Ziegler, J. P. Biersack, M. D. Ziegler, SRIM, The stopping and range of ions in matter, 2008, SRIM Co.; and https://www.srim.org [4] D. Roth, et al, Phys. Rev. Lett. 118, 103401 (2017). Figure 1 5 / 221 Orals presentations Monday 14 October ION1-O2-0106 Non-linear stopping effects of slow ions in a non-free electron system P. Grande 1, F. Matias 2, M. Vos 3, N. Koval 4, N.R. Arista 2 1Instituto de Física, Universidade Federal do Rio Grande do Sul, Av. Bento Gonçalves, 9500, CP 15051, CEP 91501-970, Porto Alegre, RS, BR. - Porto Alegre (BR), 2Centro Atómico Bariloche, Consejo Nacional de Investigaciones Científicas y Técnicas (CONICET), Av. E. Bustillo 9500, R8402AGP San Carlos de Bariloche, Río Negro, AR - Bariloche (AR), 3Department of Electronic Materials Engineering, Research School of Physics and Engineering, The AUn National University, Canberra, AU - Canberra (AU), 4CIC nanoGUNE, Tolosa Hiribidea 76, San Sebastián, 20018, ES - Donostia (ES) A recent experimental study of the energy losses of various ions in titanium nitride, in the low energy range [1] showed a striking departure of the measured values from those predicted by the Density Functional Theory. They suggested electron promotion in atomic collisions between dressed atoms as an explanation. In this report [2], we investigate the process of energy loss of slow ions in TiN using theoretical formulations that are based, on one side, on self-consistent models of non-linear screening and quantum scattering theory, and the other, on realistic numerical computations of the electron density profile of titanium nitride. Two theoretical approaches are considered to determine the average energy transfer; one is based on the local-density approximation for the inhomogeneous electron gas corresponding to the calculated density of TiN, the other is based on the Penn model for the convolution of the inhomogeneous electron gas response based on a measured electron loss function. Both approaches produce very similar results and are in a remarkable agreement with the experimental data, indicating that the observed enhancement in the energy loss values is due to the contribution of a range of electron densities in the TiN compound. Acknowledgement This study was financed in part by the following agencies: Consejo Nacional de Investigaciones Científicas y Técnicas - Argentina (CONICET); Coordenação de Aperfeiçoamento de Pessoal de Nível Superior - Brasil (CAPES) - Finance Code 001, by CNPq and PRONEX-FAPERGS. References [1] M. A. Sortica, V. Paneta, B. Bruckner, S. Lohmann, T. Nyberg, P. Bauer, and D. Primetzhofer, Scientific Reports 9, 176, (2019). [2] F. Matias, P.L. Grande, M. Vos, N. E. Koval, N. R. Arista, PRA, under review. 6 / 221 Orals presentations Monday 14 October ION2-O1-0073 ● Heavy ion ranges from first-principles electron dynamics A. Sand 1, R. Ullah 2, A.A. Correa 2 1University of Helsinki - Helsinki (FI), 2Lawrence Livermore National Laboratory - Livermore (US) The electronic stopping of ions in materials is a critical parameter for ion beam analysis, as well as for carrying out realistic atomistic simulations of primary radiation damage in materials. Experimental measurements of electronic stopping are challenging, and semi-empirically derived values, such as those given by SRIM, are known to carry significant uncertainties especially for heavy ions. In addition, these values are often derived for amorphous materials, while the stopping mechanisms for channeling ions are not well known, and may deviate significantly from amorphous values. Even in polycrystalline samples, channeling causes long tails in the depth distribution of incident ions [1], hence the channeling electronic stopping is important in all conditions. Recently, developments of time dependent density functional theory (TDDFT) have made possible the dynamic simulation of ion-electron energy transfer, allowing more detailed investigations into the mechanisms of electronic stopping [2]. To date, most reported TDDFT calculations of electronic stopping have been carried out for light ions. In this work, we extend the use of these ab initio methods to self-ion irradiation in the heavy transition metal tungsten. Tungsten (W) is the main candidate material for plasma-facing components in future